Materials Data on PrN(ClO)4 by Materials Project

doi:10.17188/1753121

Title: Materials Data on PrN(ClO)4 by Materials Project

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Abstract

PrN(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two PrN(OCl)4 ribbons oriented in the (1, 0, 0) direction. Pr is bonded in a 6-coordinate geometry to four O and two equivalent Cl atoms. There are two shorter (2.36 Å) and two longer (2.75 Å) Pr–O bond lengths. Both Pr–Cl bond lengths are 2.68 Å. N is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both N–O bond lengths are 1.22 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.61 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one N atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Pr atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1209698

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-N-O-Pr; PrN(ClO)4; crystal structure

OSTI Identifier:: 1753121

DOI:: https://doi.org/10.17188/1753121

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                    Materials Data on PrN(ClO)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753121.

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                    Materials Data on PrN(ClO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753121

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                    2020.  
"Materials Data on PrN(ClO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753121.  https://www.osti.gov/servlets/purl/1753121. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1753121,

  title        = {Materials Data on PrN(ClO)4 by Materials Project},

  
  abstractNote = {PrN(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two PrN(OCl)4 ribbons oriented in the (1, 0, 0) direction. Pr is bonded in a 6-coordinate geometry to four O and two equivalent Cl atoms. There are two shorter (2.36 Å) and two longer (2.75 Å) Pr–O bond lengths. Both Pr–Cl bond lengths are 2.68 Å. N is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both N–O bond lengths are 1.22 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.61 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one N atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Pr atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom.},

  doi          = {10.17188/1753121},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753121

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